Information card for entry 7115418

Structure parameters

• Formula: C57 H69 Cu7 I N15
• Calculated formula: C57 H69 Cu7 I N15
• Title of publication: A dual-emitting Cu6-Cu2-Cu6 cluster as a self-calibrated, wide-range luminescent molecular thermometer
• Authors of publication: Jun-Hao Wang; Mian Li; Ji Zheng; Xiao-Chun Huang; Dan Li
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 9115
• a: 9.0869 ± 0.0003 Å
• b: 16.4643 ± 0.0006 Å
• c: 23.4304 ± 0.0008 Å
• α: 102.936 ± 0.003°
• β: 100.45 ± 0.003°
• γ: 99.938 ± 0.003°
• Cell volume: 3275.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No